(phenylmethyl) (3R,4S)-4-(1-methylindol-3-yl)carbonyl-2-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) (3R,4S)-4-(1-methylindol-3-yl)carbonyl-2-oxidanylidene-piperidine-3-carboxylate Openeye Name: benzyl (3R,4S)-4-(1-methylindole-3-carbonyl)-2-oxo-piperidine-3-carboxylate CAS Name: (3R,4S)-4-[(1-methyl-3-indolyl)-oxomethyl]-2-oxo-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4S)-4-(1-methylindole-3-carbonyl)-2-oxopiperidine-3-carboxylate Traditional Name: (3R,4S)-2-keto-4-(1-methylindole-3-carbonyl)nipecotic acid benzyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C3CCNC(=O)C3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)[C@H]3CCNC(=O)[C@@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4/c1-25-13-18(16-9-5-6-10-19(16)25)21(26)17-11-12-24-22(27)20(17)23(28)29-14-15-7-3-2-4-8-15/h2-10,13,17,20H,11-12,14H2,1H3,(H,24,27)/t17-,20+/m0/s1